Methyl 6-(2,5-dibromoanilino)pyrazine-2-carboxylate

Name: Methyl 6-(2,5-dibromoanilino)pyrazine-2-carboxylate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₉Br₂N₃O₂ — CID 66449466

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACmethyl 6-(2,5-dibromoanilino)pyrazine-2-carboxylate

SMILESCOC(=O)c1cncc(Nc2cc(Br)ccc2Br)n1

InChIInChI=1S/C12H9Br2N3O2/c1-19-12(18)10-5-15-6-11(17-10)16-9-4-7(13)2-3-8(9)14/h2-6H,1H3,(H,16,17)

InChIKeyORHWGJWKTHGCFC-UHFFFAOYSA-N

MW387.03 g/mol

LogP3.53

Rot. Bonds3

About Methyl 6-(2,5-dibromoanilino)pyrazine-2-carboxylate

Methyl 6-(2,5-dibromoanilino)pyrazine-2-carboxylate (PubChem CID 66449466) has the molecular formula C₁₂H₉Br₂N₃O₂ and a molecular weight of 387.03 g/mol. Its IUPAC name is methyl 6-(2,5-dibromoanilino)pyrazine-2-carboxylate.

Molecular Properties

Compound Name	Methyl 6-(2,5-dibromoanilino)pyrazine-2-carboxylate
PubChem CID	66449466
Molecular Formula	C₁₂H₉Br₂N₃O₂
Molecular Weight	387.03 g/mol
Exact Mass	384.91
IUPAC Name	methyl 6-(2,5-dibromoanilino)pyrazine-2-carboxylate
SMILES	COC(=O)c1cncc(Nc2cc(Br)ccc2Br)n1
InChI	InChI=1S/C12H9Br2N3O2/c1-19-12(18)10-5-15-6-11(17-10)16-9-4-7(13)2-3-8(9)14/h2-6H,1H3,(H,16,17)
InChIKey	ORHWGJWKTHGCFC-UHFFFAOYSA-N
XLogP	3.53
TPSA	64.11 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	3
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.03
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Methyl 6-(2,5-dibromoanilino)pyrazine-2-carboxylate?

The IUPAC name of Methyl 6-(2,5-dibromoanilino)pyrazine-2-carboxylate (CID 66449466) is methyl 6-(2,5-dibromoanilino)pyrazine-2-carboxylate.

What is the SMILES notation for Methyl 6-(2,5-dibromoanilino)pyrazine-2-carboxylate?

The canonical SMILES for Methyl 6-(2,5-dibromoanilino)pyrazine-2-carboxylate is COC(=O)c1cncc(Nc2cc(Br)ccc2Br)n1.

What is the InChIKey of Methyl 6-(2,5-dibromoanilino)pyrazine-2-carboxylate?

The InChIKey is ORHWGJWKTHGCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2N3O2/c1-19-12(18)10-5-15-6-11(17-10)16-9-4-7(13)2-3-8(9)14/h2-6H,1H3,(H,16,17).

What are the key properties of Methyl 6-(2,5-dibromoanilino)pyrazine-2-carboxylate?

Methyl 6-(2,5-dibromoanilino)pyrazine-2-carboxylate has a molecular weight of 387.03 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 6-(2,5-dibromoanilino)pyrazine-2-carboxylate is sourced from PubChem (CID 66449466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 66449466 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.